Geometry & MOs

Info

ID:	407561
PubChem CID:	135080308
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	174.140851
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	2.27
IP(EA), eV:	-9.3(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-ethylpent-1-enyl]benzene

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@@H]1C=C(CCC2=O)CO

DOS

IR

Vibrations